N-[(Z)-(3-nitrophenyl)methylideneamino]-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
Formula:C21H16N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide |
| MolecularFormula | C21H16N6O5 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cccc(N/N=C\c3cccc([N+]([O-])=O)c3)c2)=O)c1)=O |
| InChI | InChI=1S/C21H16N6O5/c28-21(25-23-14-16-5-2-9-20(11-16)27(31)32)17-6-3-7-18(12-17)24-22-13-15-4-1-8-19(10-15)26(29)30/h1-14,24H,(H,25,28) |
| InChIK | IDEYCSFIUJICLW-UHFFFAOYSA-N |
| TotalMolweight | 432.395 |
| Molweight | 432.395 |
| MonoisotopicMass | 432.118219 |
| CLogP | 4.5397 |
| CLogS | -6.174 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 330.31 |
| Relative PSA | 0.36275 |
| PolarSurfaceArea | 157.49 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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